7A9H

Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis

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	2017-12-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033213
Spacegroup name	P 1
Unit cell lengths	62.987, 76.100, 79.148
Unit cell angles	108.96, 106.53, 107.59

Refinement procedure

Resolution	43.832 - 1.849
Rwork	0.151
R-free	0.17360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o1x
RMSD bond length	0.007
RMSD bond angle	1.370
Data reduction software	XDS (VERSION Mar 15, 2019 BUILT=20190315)
Data scaling software	XDS (VERSION Mar 15, 2019 BUILT=20190315)
Phasing software	MOLREP (11.6.02)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.832	1.916
High resolution limit [Å]	1.849	1.850
Rmerge	0.023	0.085
Rpim	0.023	0.085
Number of reflections	93268	6412
<I/σ(I)>	20.99	6.54
Completeness [%]	91.0	62.53
Redundancy	1.8	1.7
CC(1/2)	0.999	0.979

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