6VBE

Crystal structure of recombinant mutant H180R of human fumarase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 65 2 2
Unit cell lengths	189.880, 189.880, 115.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.302 - 1.899
R-factor	0.1662
Rwork	0.165
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5upp
RMSD bond length	0.008
RMSD bond angle	0.864
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.302	1.950
High resolution limit [Å]	1.899	1.900
Number of reflections	182979	6844
<I/σ(I)>	14.5
Completeness [%]	99.6
Redundancy	22.3
CC(1/2)	0.999	0.338

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		294	0.2 M Amonium tartrate dibasic, 14% (m/v) PEG 3350