5JLC

Structure of CYP51 from the pathogen Candida glabrata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	93
Detector technology	CCD
Collection date	2016-08-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	I 4 3 2
Unit cell lengths	237.940, 237.940, 237.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.569 - 2.400
R-factor	0.202
Rwork	0.201
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lxj
RMSD bond length	0.008
RMSD bond angle	0.986
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.12)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.140	97.140	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.166	0.072	1.552
Number of reflections	44748
<I/σ(I)>	7.4
Completeness [%]	99.9	98.5	100
Redundancy	6	5.6	6.1
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.5 M Glycine,40% PEG400