6EIC

Crystal structure of Rv0183, a Monoglyceride Lipase from Mycobacterium Tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97895
Spacegroup name	P 31 1 2
Unit cell lengths	85.825, 85.825, 196.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.209 - 1.800
R-factor	0.2227
Rwork	0.221
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.010
Data reduction software	SCALA
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.209	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.105	0.853
Rpim	0.035	0.307
Number of reflections	77304	4549
<I/σ(I)>	16.4	2.6
Completeness [%]	100.0	100
Redundancy	9.6	8.7
CC(1/2)	0.998	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293.15	0.03M sodium nitrate, 0.03M di-sodium hydrogenphosphate, 0.03M ammonium sulfate, 0.1M MOPS/HEPES, 12% 2-Methyl 2,4 pentandiol, 12% PEG1000, 12% PEG3350. Microseeding