7A9G

Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis with intermediate 2-acetyl-thiamine diphosphate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033213
Spacegroup name	P 1 21 1
Unit cell lengths	62.865, 126.170, 79.031
Unit cell angles	90.00, 106.28, 90.00

Refinement procedure

Resolution	48.552 - 1.900
Rwork	0.154
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o1x
RMSD bond length	0.008
RMSD bond angle	1.476
Data reduction software	pointless (1.11.21)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.6.02)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.552	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.049	0.365
Rpim	0.049	0.365
Number of reflections	92339	9196
<I/σ(I)>	12.4	2.52
Completeness [%]	99.4	99.38
Redundancy	1.9	1.9
CC(1/2)	0.997	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M DL-Malic acid, MES monohydrate, Tris (MMT)-buffer, pH 5.0 + 25% PEG1500